3-(Boc-amino)pyridine-2-carboxylic Acid - CAS 569687-82-7
Catalog: |
BB029552 |
Product Name: |
3-(Boc-amino)pyridine-2-carboxylic Acid |
CAS: |
569687-82-7 |
Synonyms: |
3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-pyridinecarboxylic acid; 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid |
IUPAC Name: | 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid |
Description: | 3-(Boc-amino)pyridine-2-carboxylic Acid (CAS# 569687-82-7) is a useful research chemical. |
Molecular Weight: | 238.24 |
Molecular Formula: | C11H14N2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=C(N=CC=C1)C(=O)O |
InChI: | InChI=1S/C11H14N2O4/c1-11(2,3)17-10(16)13-7-5-4-6-12-8(7)9(14)15/h4-6H,1-3H3,(H,13,16)(H,14,15) |
InChI Key: | SEMXBDMLULHKBL-UHFFFAOYSA-N |
MDL: | MFCD02181061 |
LogP: | 2.14040 |
Publication Number | Title | Priority Date |
KR-20160115934-A | Bicyclic heterocyclyl derivatives as irak4 inhibitors | 20140113 |
JP-2007176809-A | Heterocyclic substituted amide compound, process for producing the same and pharmaceutical composition | 20051227 |
RU-2411237-C2 | PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS mGluR5 ANTAGONISTS | 20050304 |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.09535693 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.09535693 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 88.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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